Pubchem ID | 7969 |
---|---|
CAS | 108-98-5 |
IUPAC name | benzenethiol |
Synonyms | Mercaptobenzene|Phenyl mercaptan|Phenylthiol|Phenylmercaptan|Thiofenol |
Categories | Flavor enhancer |
SMILES | C1=CC=C(C=C1)S |
InCheykey | InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H |
Natural | YES |
E No. | - |
GHS Siginal | Danger |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
110.174 | 1 | 1 | 0 | 1.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |